1-(2-hydroxynaphthalen-1-yl)-3-[[propan-2-yl(pyridin-3-yl)amino]methyl]naphthalen-2-ol

C29H26N2O2 — CID 11212694

IUPAC1-(2-hydroxynaphthalen-1-yl)-3-[[propan-2-yl(pyridin-3-yl)amino]methyl]naphthalen-2-ol
SMILESCC(C)N(Cc1cc2ccccc2c(-c2c(O)ccc3ccccc23)c1O)c1cccnc1
InChIInChI=1S/C29H26N2O2/c1-19(2)31(23-10-7-15-30-17-23)18-22-16-21-9-4-6-12-25(21)28(29(22)33)27-24-11-5-3-8-20(24)13-14-26(27)32/h3-17,19,32-33H,18H2,1-2H3
InChIKeyGTJZWSAHWKJRRF-UHFFFAOYSA-N
MW434.54 g/mol
LogP6.88
Rot. Bonds5

About 1-(2-hydroxynaphthalen-1-yl)-3-[[propan-2-yl(pyridin-3-yl)amino]methyl]naphthalen-2-ol

1-(2-hydroxynaphthalen-1-yl)-3-[[propan-2-yl(pyridin-3-yl)amino]methyl]naphthalen-2-ol (PubChem CID 11212694) has the molecular formula C29H26N2O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-(2-hydroxynaphthalen-1-yl)-3-[[propan-2-yl(pyridin-3-yl)amino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-(2-hydroxynaphthalen-1-yl)-3-[[propan-2-yl(pyridin-3-yl)amino]methyl]naphthalen-2-ol
PubChem CID11212694
Molecular FormulaC29H26N2O2
Molecular Weight434.54 g/mol
Exact Mass434.20
IUPAC Name1-(2-hydroxynaphthalen-1-yl)-3-[[propan-2-yl(pyridin-3-yl)amino]methyl]naphthalen-2-ol
SMILESCC(C)N(Cc1cc2ccccc2c(-c2c(O)ccc3ccccc23)c1O)c1cccnc1
InChIInChI=1S/C29H26N2O2/c1-19(2)31(23-10-7-15-30-17-23)18-22-16-21-9-4-6-12-25(21)28(29(22)33)27-24-11-5-3-8-20(24)13-14-26(27)32/h3-17,19,32-33H,18H2,1-2H3
InChIKeyGTJZWSAHWKJRRF-UHFFFAOYSA-N
XLogP6.88
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxynaphthalen-1-yl)-3-[[propan-2-yl(pyridin-3-yl)amino]methyl]naphthalen-2-ol?
The IUPAC name of 1-(2-hydroxynaphthalen-1-yl)-3-[[propan-2-yl(pyridin-3-yl)amino]methyl]naphthalen-2-ol (CID 11212694) is 1-(2-hydroxynaphthalen-1-yl)-3-[[propan-2-yl(pyridin-3-yl)amino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-(2-hydroxynaphthalen-1-yl)-3-[[propan-2-yl(pyridin-3-yl)amino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-(2-hydroxynaphthalen-1-yl)-3-[[propan-2-yl(pyridin-3-yl)amino]methyl]naphthalen-2-ol is CC(C)N(Cc1cc2ccccc2c(-c2c(O)ccc3ccccc23)c1O)c1cccnc1.
What is the InChIKey of 1-(2-hydroxynaphthalen-1-yl)-3-[[propan-2-yl(pyridin-3-yl)amino]methyl]naphthalen-2-ol?
The InChIKey is GTJZWSAHWKJRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O2/c1-19(2)31(23-10-7-15-30-17-23)18-22-16-21-9-4-6-12-25(21)28(29(22)33)27-24-11-5-3-8-20(24)13-14-26(27)32/h3-17,19,32-33H,18H2,1-2H3.
What are the key properties of 1-(2-hydroxynaphthalen-1-yl)-3-[[propan-2-yl(pyridin-3-yl)amino]methyl]naphthalen-2-ol?
1-(2-hydroxynaphthalen-1-yl)-3-[[propan-2-yl(pyridin-3-yl)amino]methyl]naphthalen-2-ol has a molecular weight of 434.54 g/mol, XLogP of 6.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxynaphthalen-1-yl)-3-[[propan-2-yl(pyridin-3-yl)amino]methyl]naphthalen-2-ol is sourced from PubChem (CID 11212694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).